⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2071264 | 0.78 | — | — | |
| SCHEMBL17546443 | 0.76 | — | — | |
| SCHEMBL10362152 | 0.76 | — | — | |
| SCHEMBL12083431 | 0.76 | — | — | |
| SCHEMBL28508040 | 0.76 | — | — | |
| SCHEMBL29955293 | 0.76 | CES1 (0.41) | — | |
| SCHEMBL28252779 | 0.76 | — | — | |
| SCHEMBL29955983 | 0.75 | ABCC4 (0.35) | — | |
| SCHEMBL1284015 | 0.74 | — | — | |
| SCHEMBL29951861 | 0.72 | FAAH (0.46) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9751869-B2 | LXR modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-09-05 | — | — | US | disclosed |
| US-20160289222-A1 | LXR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-10-06 | — | — | US | disclosed |
| US-20110160476-A1 | N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2011-06-30 | — | — | US | disclosed |
| US-20110133121-A1 | N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2011-06-09 | — | — | US | disclosed |
| EP-2322504-A1 | PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER | Asahi Kasei Chemicals Corporation (JP) | 2011-05-18 | — | — | EP | disclosed |